6-chloro-5-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

C11H17ClN4O — CID 170871362

IUPAC6-chloro-5-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESNc1ncnc(Cl)c1CCCN1CCOCC1
InChIInChI=1S/C11H17ClN4O/c12-10-9(11(13)15-8-14-10)2-1-3-16-4-6-17-7-5-16/h8H,1-7H2,(H2,13,14,15)
InChIKeyXQXVNCXPBYCMBU-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.98
Rot. Bonds4

About 6-chloro-5-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

6-chloro-5-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (PubChem CID 170871362) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 6-chloro-5-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
PubChem CID170871362
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name6-chloro-5-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESNc1ncnc(Cl)c1CCCN1CCOCC1
InChIInChI=1S/C11H17ClN4O/c12-10-9(11(13)15-8-14-10)2-1-3-16-4-6-17-7-5-16/h8H,1-7H2,(H2,13,14,15)
InChIKeyXQXVNCXPBYCMBU-UHFFFAOYSA-N
XLogP0.98
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4,6-dichloropyrimidin-5-yl)propyl]morpholine
CID 170871352
5-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 154327108
6-chloro-5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 63729586
4-(3-pyrimidin-2-ylpropyl)morpholine
CID 170871392
3-chloro-2-(3-morpholin-4-ylpropyl)phenol
CID 170869480
6-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 83916654
4-(3-pyrimidin-4-ylpropyl)morpholine
CID 170871346
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
6-chloro-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 63729585
4-chloro-3,5-dimethyl-2-(3-morpholin-4-ylpropyl)phenol
CID 170869854
2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 24823423
4-[3-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]propyl]morpholine
CID 170870509

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (CID 170871362) is 6-chloro-5-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is Nc1ncnc(Cl)c1CCCN1CCOCC1.
What is the InChIKey of 6-chloro-5-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The InChIKey is XQXVNCXPBYCMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c12-10-9(11(13)15-8-14-10)2-1-3-16-4-6-17-7-5-16/h8H,1-7H2,(H2,13,14,15).
What are the key properties of 6-chloro-5-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
6-chloro-5-(3-morpholin-4-ylpropyl)pyrimidin-4-amine has a molecular weight of 256.74 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 170871362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).